N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

C22H19N7O — CID 127038679

IUPACN-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCn1ccc(NC(=O)c2cn(Cc3ccc(-n4cccn4)cc3)c3cccnc23)n1
InChIInChI=1S/C22H19N7O/c1-27-13-9-20(26-27)25-22(30)18-15-28(19-4-2-10-23-21(18)19)14-16-5-7-17(8-6-16)29-12-3-11-24-29/h2-13,15H,14H2,1H3,(H,25,26,30)
InChIKeyDHRDIENMVNDVSW-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.26
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide

N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 127038679) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID127038679
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC NameN-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCn1ccc(NC(=O)c2cn(Cc3ccc(-n4cccn4)cc3)c3cccnc23)n1
InChIInChI=1S/C22H19N7O/c1-27-13-9-20(26-27)25-22(30)18-15-28(19-4-2-10-23-21(18)19)14-16-5-7-17(8-6-16)29-12-3-11-24-29/h2-13,15H,14H2,1H3,(H,25,26,30)
InChIKeyDHRDIENMVNDVSW-UHFFFAOYSA-N
XLogP3.26
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide (CID 127038679) is N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is Cn1ccc(NC(=O)c2cn(Cc3ccc(-n4cccn4)cc3)c3cccnc23)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is DHRDIENMVNDVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-27-13-9-20(26-27)25-22(30)18-15-28(19-4-2-10-23-21(18)19)14-16-5-7-17(8-6-16)29-12-3-11-24-29/h2-13,15H,14H2,1H3,(H,25,26,30).
What are the key properties of N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide?
N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 127038679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).